2-[4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[[4-(dimethylamino)-1-piperidyl]sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[4-(dimethylamino)-1-piperidinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[4-(dimethylamino)piperidino]sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CN(C)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C27H37N3O4S/c1-28(2)23-15-19-30(20-16-23)35(33,34)25-12-8-22(9-13-25)26(27(31)32)14-7-21-5-10-24(11-6-21)29-17-3-4-18-29/h5-6,8-13,23,26H,3-4,7,14-20H2,1-2H3,(H,31,32)